SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_F_SAMF301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 LEU A 280
LEU A 244
ASP A 189
ALA A 214
ALA A 195
 None
 1.09A 2br4F-1cttA:
undetectable		 2br4F-1cttA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 LEU A 333
LEU A 307
GLY A 312
ALA A 313
ALA A 403
 None
 1.12A 2br4F-1dkpA:
undetectable		 2br4F-1dkpA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gwc GLUTATHIONE
S-TRANSFERASE TSI-1

(Aegilops
tauschii) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A  73
LEU A 160
GLY A 166
ASP A 162
ALA A 205
 None
 1.14A 2br4F-1gwcA:
undetectable		 2br4F-1gwcA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 LEU A 511
LEU A 458
GLY A 538
ALA A 467
ALA A 471
 None
 1.07A 2br4F-1itkA:
undetectable		 2br4F-1itkA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		6 LEU B 459
GLU B 404
GLY B 482
SER B 414
ASP B 779
ALA B 776
 None
 1.17A 2br4F-1n60B:
undetectable		 2br4F-1n60B:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 LEU A 309
LEU A  30
GLY A  80
ALA A  72
ALA A  73
 None
 1.00A 2br4F-1pc3A:
undetectable		 2br4F-1pc3A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pja PALMITOYL-PROTEIN
THIOESTERASE 2
PRECURSOR

(Homo sapiens) 		PF02089
(Palm_thioest) 		5 LEU A 115
LEU A  83
TYR A 178
ASP A 185
ALA A 196
 None
 1.12A 2br4F-1pjaA:
3.1		 2br4F-1pjaA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 LEU A 273
LEU A 275
GLY A 264
SER A 282
ALA A 224
 None
 1.11A 2br4F-1rwrA:
undetectable		 2br4F-1rwrA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 GLY A  87
TYR A  89
SER A  93
ASP A 163
ALA A 164
 SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
 0.82A 2br4F-1susA:
13.2		 2br4F-1susA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2l PEROXIDASE/CATALASE
HPI

(Escherichia
coli) 		PF00141
(peroxidase) 		5 LEU A 513
LEU A 462
GLY A 533
ALA A 471
ALA A 475
 None
 1.14A 2br4F-1u2lA:
undetectable		 2br4F-1u2lA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  22
ARG A  47
ASP A  61
ALA A  89
ALA A 111
 NAP  A1249 (-3.2A)
NAP  A1249 (-3.6A)
NAP  A1249 (-3.7A)
NAP  A1249 (-3.7A)
NAP  A1249 (-3.6A)
 0.97A 2br4F-1uznA:
5.2		 2br4F-1uznA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wwu HYPOTHETICAL PROTEIN
FLJ21935

(Homo sapiens) 		no annotation 5 LEU A  54
LEU A  33
GLU A  69
GLY A  70
SER A  39
 None
 1.09A 2br4F-1wwuA:
undetectable		 2br4F-1wwuA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xe4 FEMX

(Weissella
viridescens) 		PF02388
(FemAB) 		5 LEU A 246
GLU A  15
GLY A  31
ALA A 222
ALA A 221
 None
 1.05A 2br4F-1xe4A:
undetectable		 2br4F-1xe4A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 GLY A  13
ARG A  38
ARG A  42
ASP A  66
ALA A  94
 NDP  A1281 (-2.9A)
NDP  A1281 (-3.8A)
NDP  A1281 (-2.7A)
NDP  A1281 (-3.6A)
NDP  A1281 (-3.7A)
 1.05A 2br4F-1xkqA:
5.4		 2br4F-1xkqA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 276
GLU A  34
GLY A  11
ALA A 145
ALA A 307
 None
FAD  A 666 (-2.5A)
FAD  A 666 (-3.2A)
FAD  A 666 (-4.9A)
None
 1.01A 2br4F-1zk7A:
3.4		 2br4F-1zk7A:
17.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
TYR A  91
SER A  95
ARG A 117
ARG A 121
ASP A 138
ASP A 160
ALA A 161
ALA A 163
 SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
 0.49A 2br4F-2br4A:
34.9		 2br4F-2br4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  22
GLY A  83
TYR A  81
ALA A  86
ALA A  90
 None
 0.98A 2br4F-2cx9A:
undetectable		 2br4F-2cx9A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fr1 ERYTHROMYCIN
SYNTHASE, ERYAI

(Saccharopolyspora
erythraea) 		PF08659
(KR) 		5 GLY A1672
ARG A1698
ASP A1726
ALA A1753
ALA A1775
 NDP  A 301 ( 4.0A)
NDP  A 301 (-3.9A)
NDP  A 301 (-3.4A)
NDP  A 301 ( 3.7A)
NDP  A 301 (-3.3A)
 0.81A 2br4F-2fr1A:
6.0		 2br4F-2fr1A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hrb CARBONYL REDUCTASE
[NADPH] 3

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  12
ARG A  38
ARG A  15
ASP A  63
ALA A  91
 NAP  A1001 (-3.4A)
NAP  A1001 ( 3.5A)
NAP  A1001 (-3.8A)
NAP  A1001 (-3.6A)
NAP  A1001 (-3.5A)
 1.07A 2br4F-2hrbA:
5.9		 2br4F-2hrbA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran) 		5 LEU A  24
LEU A  45
SER A  40
ALA A  33
ALA A 201
 None
 1.05A 2br4F-2it1A:
undetectable		 2br4F-2it1A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jah CLAVULANIC ACID
DEHYDROGENASE

(Streptomyces
clavuligerus) 		PF00106
(adh_short) 		5 GLY A  14
ARG A  39
ARG A  40
ASP A  64
ALA A  92
 NDP  A1248 (-3.3A)
NDP  A1248 (-3.4A)
NDP  A1248 (-4.2A)
NDP  A1248 (-3.8A)
NDP  A1248 (-3.5A)
 0.90A 2br4F-2jahA:
2.7		 2br4F-2jahA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jww PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		5 LEU A  77
GLU A 101
GLY A  89
ASP A  90
ALA A  88
 None
 1.02A 2br4F-2jwwA:
undetectable		 2br4F-2jwwA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lbh NEUROPHYSIN 1

(Bos taurus) 		PF00184
(Hormone_5) 		5 GLY A  71
ASP A  30
ASP A  86
ALA A  89
ALA A  90
 None
 0.93A 2br4F-2lbhA:
undetectable		 2br4F-2lbhA:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 LEU A 107
GLY A 104
ASP A  60
ALA A 111
ALA A  99
 None
FAD  A1535 (-3.3A)
None
FAD  A1535 ( 3.7A)
FAD  A1535 ( 4.3A)
 1.15A 2br4F-2qpmA:
undetectable		 2br4F-2qpmA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vfv XYLITOL OXIDASE

(Streptomyces
coelicolor) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 LEU A 174
LEU A  90
GLY A  83
ALA A 113
ALA A 117
 None
None
SFD  A1418 ( 4.3A)
SFD  A1418 (-3.5A)
SFD  A1418 (-3.2A)
 0.91A 2br4F-2vfvA:
undetectable		 2br4F-2vfvA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 LEU A 154
LEU A 118
GLY A 127
ALA A 130
ALA A 166
 None
 1.02A 2br4F-2xrmA:
undetectable		 2br4F-2xrmA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 LEU A 389
GLY A  63
TYR A  93
ALA A 409
ALA A 650
 None
FAD  A 801 (-3.1A)
None
None
None
 0.83A 2br4F-2yr5A:
3.2		 2br4F-2yr5A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus) 		PF00582
(Usp) 		5 LEU A 228
LEU A 238
GLY A 241
ALA A 167
ALA A 163
 LEU  A 228 ( 0.6A)
LEU  A 238 ( 0.6A)
GLY  A 241 ( 0.0A)
ALA  A 167 ( 0.0A)
ALA  A 163 ( 0.0A)
 1.10A 2br4F-3ab7A:
2.3		 2br4F-3ab7A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  78
SER A  84
ASP A 130
ASP A 154
ALA A 155
 SAH  A 464 (-3.7A)
SAH  A 464 (-2.8A)
SAH  A 464 (-4.1A)
CA  A 238 ( 2.2A)
SAH  A 464 (-3.7A)
 0.89A 2br4F-3c3yA:
12.8		 2br4F-3c3yA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7j TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF00392
(GntR)
PF07729
(FCD) 		5 LEU A 196
LEU A 151
SER A 112
ASP A 120
ALA A 118
 None
 1.11A 2br4F-3c7jA:
undetectable		 2br4F-3c7jA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 318
GLY A 350
TYR A 345
ALA A 325
ALA A 296
 None
 1.10A 2br4F-3d1jA:
2.2		 2br4F-3d1jA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  81
LEU A 124
GLY A 119
ASP A 121
ALA A 118
ALA A 114
 None
 1.31A 2br4F-3ddmA:
undetectable		 2br4F-3ddmA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		5 GLU A1166
TYR A1101
SER A1099
ASP B 105
ALA A 105
 None
None
MD1  A1245 (-2.7A)
None
None
 1.13A 2br4F-3egwA:
3.8		 2br4F-3egwA:
11.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.12A 2br4F-3fs2A:
undetectable		 2br4F-3fs2A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 141
GLU A  31
GLY A   8
ALA A 132
ALA A 334
 FAD  A 444 ( 4.0A)
FAD  A 444 (-2.7A)
FAD  A 444 (-3.3A)
None
None
 1.05A 2br4F-3g5sA:
undetectable		 2br4F-3g5sA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 LEU A  69
LEU A  39
GLU A  18
GLY A  33
ALA A  93
 None
 1.09A 2br4F-3h3eA:
undetectable		 2br4F-3h3eA:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 LEU A 301
GLU A 273
GLY A 370
ASP A 347
ALA A 230
 None
 1.13A 2br4F-3i6uA:
undetectable		 2br4F-3i6uA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 276
GLU A  35
GLY A  12
ALA A 140
ALA A 308
 None
FAD  A 490 (-2.8A)
FAD  A 490 (-3.1A)
None
None
 1.00A 2br4F-3ic9A:
undetectable		 2br4F-3ic9A:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kgk ARSENICAL RESISTANCE
OPERON TRANS-ACTING
REPRESSOR ARSD

(Escherichia
coli) 		PF06953
(ArsD) 		5 LEU A  78
GLY A  99
ARG A  96
ALA A  95
ALA A  92
 None
 0.96A 2br4F-3kgkA:
undetectable		 2br4F-3kgkA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 LEU A 335
LEU A 339
GLY A 321
ALA A 294
ALA A 273
 None
 0.98A 2br4F-3lscA:
undetectable		 2br4F-3lscA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A  49
TYR A 361
ASP A 403
ALA A 404
ALA A 400
 None
 1.04A 2br4F-3mduA:
undetectable		 2br4F-3mduA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 LEU A 164
LEU A 106
GLY A  47
SER A 109
ALA A 300
 None
 1.10A 2br4F-3ndaA:
undetectable		 2br4F-3ndaA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nf2 PUTATIVE POLYPRENYL
SYNTHETASE

(Streptomyces
coelicolor) 		PF00348
(polyprenyl_synt) 		5 LEU A 369
GLY A 251
SER A 226
ALA A 253
ALA A 342
 None
 1.14A 2br4F-3nf2A:
undetectable		 2br4F-3nf2A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		5 LEU A 251
GLY A 185
SER A 343
ALA A 335
ALA A 331
 None
 1.12A 2br4F-3nfbA:
undetectable		 2br4F-3nfbA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		5 LEU A 340
GLY A 185
SER A 343
ALA A 335
ALA A 331
 None
 1.14A 2br4F-3nfbA:
undetectable		 2br4F-3nfbA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 294
GLU A  34
GLY A   9
ALA A 285
ALA A 447
 None
FAD  A 479 (-3.0A)
FAD  A 479 (-3.3A)
None
None
 1.08A 2br4F-3nksA:
undetectable		 2br4F-3nksA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 LEU A  92
GLY A  10
TYR A   7
ALA A  13
ALA A  18
 None
 1.02A 2br4F-3pmoA:
undetectable		 2br4F-3pmoA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		5 LEU A  12
GLY A 172
TYR A  48
ASP A 180
ALA A 171
 None
 1.14A 2br4F-3q3vA:
undetectable		 2br4F-3q3vA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Vibrio cholerae) 		PF01648
(ACPS) 		5 LEU A  31
GLY A  46
SER A  42
ALA A  50
ALA A  10
 None
None
CL  A 128 ( 4.6A)
None
MPD  A2570 (-3.6A)
 1.01A 2br4F-3qmnA:
undetectable		 2br4F-3qmnA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r20 CYTIDYLATE KINASE

(Mycolicibacterium
smegmatis) 		PF02224
(Cytidylate_kin) 		5 LEU A 218
GLY A  30
ARG A  27
ASP A  76
ALA A  26
 None
 1.12A 2br4F-3r20A:
undetectable		 2br4F-3r20A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 GLU A 202
GLY A 204
SER A 217
ASP A 252
ASP A 275
 SAH  A 601 (-3.4A)
SAH  A 601 (-3.5A)
SAH  A 601 (-3.2A)
SAH  A 601 (-3.6A)
MG  A 501 ( 2.8A)
 0.99A 2br4F-3ssmA:
12.2		 2br4F-3ssmA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 GLY A 194
ASP A 233
ASP A 195
ALA A 191
ALA A 188
 None
GOL  A 716 (-3.6A)
None
None
None
 1.09A 2br4F-3ucqA:
undetectable		 2br4F-3ucqA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LEU A 253
GLU A 247
GLY A 246
SER A 251
ALA A  40
 None
 1.14A 2br4F-3ue1A:
undetectable		 2br4F-3ue1A:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 LEU A 564
LEU A 511
GLY A 590
ALA A 520
ALA A 524
 None
 1.14A 2br4F-3ut2A:
undetectable		 2br4F-3ut2A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 672
TYR A 706
ASP A 744
ALA A 745
ALA A 749
 None
 1.02A 2br4F-4azcA:
undetectable		 2br4F-4azcA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 LEU A 521
LEU A 467
GLY A 548
ALA A 476
ALA A 480
 None
 1.03A 2br4F-4c51A:
undetectable		 2br4F-4c51A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		5 LEU A 469
GLY A 434
ASP A 427
ALA A 435
ALA A 425
 None
CA  A 604 (-4.4A)
CA  A 604 (-3.2A)
None
None
 1.09A 2br4F-4cagA:
undetectable		 2br4F-4cagA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		6 GLU A 174
GLY A 202
SER A  19
ASP A 203
ALA A 206
ALA A 209
 None
 1.09A 2br4F-4e4gA:
3.7		 2br4F-4e4gA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fso PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 GLY A 249
TYR A 213
SER A 280
ARG A 247
ASP A 242
 None
 1.14A 2br4F-4fsoA:
undetectable		 2br4F-4fsoA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 GLY A 191
ARG A 218
ASP A 246
ALA A 274
ALA A 296
 NDP  A 501 (-3.5A)
NDP  A 501 (-3.5A)
NDP  A 501 (-3.6A)
NDP  A 501 (-3.8A)
NDP  A 501 (-3.5A)
 0.76A 2br4F-4hxyA:
6.4		 2br4F-4hxyA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 206
GLU A 250
GLY A 258
SER A 248
ALA A 259
 None
 0.99A 2br4F-4i6fA:
undetectable		 2br4F-4i6fA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		5 GLY A 288
ARG A 314
ASP A 342
ALA A 365
ALA A 387
 NDP  A1501 (-3.6A)
NDP  A1501 (-3.6A)
NDP  A1501 (-3.2A)
NDP  A1501 (-3.6A)
NDP  A1501 (-3.4A)
 0.76A 2br4F-4impA:
6.6		 2br4F-4impA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 LEU A 162
GLY A 170
ASP A 173
ALA A 174
ALA A 180
 None
 1.05A 2br4F-4j2uA:
undetectable		 2br4F-4j2uA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 GLY A 284
ARG A 310
ARG A 311
ALA A 366
ALA A 388
 NDP  A 601 (-3.3A)
NDP  A 601 (-3.1A)
NDP  A 601 (-3.9A)
NDP  A 601 (-4.1A)
NDP  A 601 ( 3.9A)
 0.87A 2br4F-4l4xA:
2.3		 2br4F-4l4xA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 GLY A 284
ARG A 310
ASP A 338
ALA A 366
ALA A 388
 NDP  A 601 (-3.3A)
NDP  A 601 (-3.1A)
NDP  A 601 (-3.4A)
NDP  A 601 (-4.1A)
NDP  A 601 ( 3.9A)
 0.85A 2br4F-4l4xA:
2.3		 2br4F-4l4xA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 LEU A  35
GLY A  64
SER A  70
ASP A 136
ALA A 137
 None
SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
MN  A 303 ( 2.7A)
SAM  A 301 ( 3.9A)
 0.82A 2br4F-4pclA:
13.3		 2br4F-4pclA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		5 LEU A  37
LEU A  89
GLY A 113
ALA A  99
ALA A 100
 None
 1.00A 2br4F-4q1jA:
undetectable		 2br4F-4q1jA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 LEU A 205
GLY A 278
ASP A 279
ALA A 274
ALA A 271
 None
 1.15A 2br4F-4qjyA:
undetectable		 2br4F-4qjyA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r10 PROTEIN HUMPBACK-2
CADHERIN-RELATED
HMR-1

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF00514
(Arm)
PF01049
(Cadherin_C) 		5 LEU B1189
GLU A 558
ASP B1199
ALA B1196
ALA A 403
 None
 1.09A 2br4F-4r10B:
undetectable		 2br4F-4r10B:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLU A1697
SER A1668
ASP A1755
ASP A1779
ALA A1780
 None
 1.05A 2br4F-4uclA:
9.6		 2br4F-4uclA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		6 LEU A 481
GLU A 442
SER A 477
ASP A 407
ALA A 444
ALA A 427
 None
 1.45A 2br4F-4upkA:
undetectable		 2br4F-4upkA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbk DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Lactobacillus
brevis) 		PF01791
(DeoC) 		5 LEU A  17
GLY A 190
SER A 212
ASP A 172
ALA A 135
 None
 1.09A 2br4F-4xbkA:
undetectable		 2br4F-4xbkA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLY A  73
TYR A  75
SER A  79
ASP A 144
ALA A 145
 SAM  A1001 (-3.3A)
SAM  A1001 (-4.8A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
 0.77A 2br4F-4ymgA:
13.7		 2br4F-4ymgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 LEU D  18
GLY D 114
TYR D  59
SER D  63
ASP D  85
 None
 1.15A 2br4F-5a6bD:
undetectable		 2br4F-5a6bD:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A 129
LEU A 168
GLY A 163
TYR A 167
ALA A 146
 None
 1.12A 2br4F-5aa5A:
undetectable		 2br4F-5aa5A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3m PUTATIVE
6-PHOSPHO-BETA-GLUCO
SIDASE

(Geobacillus
stearothermophilus) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 LEU A 423
LEU A 427
GLY A 398
TYR A 400
ALA A 392
 None
 1.14A 2br4F-5c3mA:
undetectable		 2br4F-5c3mA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 LEU C 117
GLY C 108
SER C 114
ALA C 126
ALA C 157
 None
 1.10A 2br4F-5h35C:
undetectable		 2br4F-5h35C:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		5 LEU A  93
LEU A 284
SER A 286
ASP A 272
ALA A 278
 None
 1.12A 2br4F-5hsgA:
3.1		 2br4F-5hsgA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 210
GLY A  89
SER A  40
ALA A 162
ALA A 165
 BAM  A 407 (-4.3A)
BAM  A 407 (-3.4A)
None
BAM  A 407 (-3.2A)
None
 1.00A 2br4F-5jd4A:
3.3		 2br4F-5jd4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8d COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 LEU A 294
LEU A 286
GLU A 676
SER A 268
ASP A 666
 None
 1.12A 2br4F-5k8dA:
undetectable		 2br4F-5k8dA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLY A 101
TYR A 103
SER A 107
ASP A 177
ALA A 178
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
 0.71A 2br4F-5kvaA:
13.1		 2br4F-5kvaA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 LEU A  28
LEU A  49
SER A  44
ALA A  37
ALA A 209
 None
None
ATP  A 701 (-4.0A)
None
None
 1.00A 2br4F-5lj6A:
undetectable		 2br4F-5lj6A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 5 LEU A  29
LEU A  50
SER A  45
ALA A  38
ALA A 210
 None
 1.03A 2br4F-5lj9A:
undetectable		 2br4F-5lj9A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLY A  67
SER A  73
ASP A 119
ASP A 142
ALA A 143
 SAH  A1001 (-3.5A)
SAH  A1001 (-2.7A)
SAH  A1001 (-3.8A)
MG  A1002 (-2.5A)
SAH  A1001 (-3.7A)
 0.85A 2br4F-5logA:
12.5		 2br4F-5logA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 539
GLU A 502
GLY A 501
SER A 542
ALA A 491
 None
 0.96A 2br4F-5m1tA:
undetectable		 2br4F-5m1tA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		5 LEU F 240
GLY F 376
SER F 293
ALA F 373
ALA F  67
 None
None
None
NFU  F 501 (-3.1A)
NFU  F 501 ( 4.5A)
 1.12A 2br4F-5odrF:
undetectable		 2br4F-5odrF:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ool 39S RIBOSOMAL
PROTEIN L44,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 LEU c 257
GLY c 284
TYR c 270
ALA c 296
ALA c 297
 None
 1.13A 2br4F-5oolc:
undetectable		 2br4F-5oolc:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
AAC) 		PF00171
(Aldedh) 		5 GLU A 175
GLY A 203
ASP A 204
ALA A 207
ALA A 210
 ADP  A 501 (-3.4A)
None
None
None
None
 1.02A 2br4F-5tjrA:
3.7		 2br4F-5tjrA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 LEU A  31
LEU A  52
SER A  47
ALA A  40
ALA A 212
 None
None
AT4  A 801 (-4.1A)
None
None
 0.94A 2br4F-5ws4A:
undetectable		 2br4F-5ws4A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 5 LEU B 354
GLU B 114
GLY B  91
ALA B 218
ALA B 385
 FAD  B 601 (-4.6A)
FAD  B 601 (-2.6A)
FAD  B 601 (-3.3A)
FAD  B 601 ( 4.6A)
None
 1.05A 2br4F-5x1yB:
3.2		 2br4F-5x1yB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 LEU A  95
LEU A  67
GLY A  98
ALA A 139
ALA A 178
 None
 1.10A 2br4F-5xepA:
undetectable		 2br4F-5xepA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xu1 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 LEU A  29
LEU A  50
SER A  45
ALA A  38
ALA A 210
 None
None
MG  A 301 ( 4.5A)
None
None
 0.97A 2br4F-5xu1A:
undetectable		 2br4F-5xu1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLY A 225
ARG A 251
ARG A 252
ALA A 306
ALA A 329
 NAP  A 501 (-3.6A)
NAP  A 501 (-3.6A)
NAP  A 501 (-4.0A)
NAP  A 501 (-3.5A)
NAP  A 501 ( 3.7A)
 0.98A 2br4F-5xwwA:
6.0		 2br4F-5xwwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLY A 225
ARG A 251
ASP A 279
ALA A 306
ALA A 329
 NAP  A 501 (-3.6A)
NAP  A 501 (-3.6A)
NAP  A 501 (-3.4A)
NAP  A 501 (-3.5A)
NAP  A 501 ( 3.7A)
 0.71A 2br4F-5xwwA:
6.0		 2br4F-5xwwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 LEU A 227
GLY A 207
SER A 272
ARG A 263
ASP A 243
 None
 1.10A 2br4F-5ydlA:
undetectable		 2br4F-5ydlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 LEU A 416
LEU A 377
SER A 355
ALA A 389
ALA A 439
 None
 1.10A 2br4F-5yp3A:
undetectable		 2br4F-5yp3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
ASP A 113
ASP A 133
ALA A 134
ALA A 135
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
 1.11A 2br4F-5zw4A:
13.9		 2br4F-5zw4A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
SER A  68
ASP A 113
ASP A 133
ALA A 134
 SAM  A 302 (-3.4A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
 0.85A 2br4F-5zw4A:
13.9		 2br4F-5zw4A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 5 LEU A 194
GLY A  13
ARG A  38
ASP A  60
ALA A  88
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
 0.88A 2br4F-6b9uA:
5.3		 2br4F-6b9uA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 5 LEU A 274
LEU A  71
GLU A 217
ALA A 198
ALA A 197
 None
 1.12A 2br4F-6c9bA:
3.2		 2br4F-6c9bA:
undetectable